4-(phenoxy)phenyl chloroformate | 214690-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(phenoxy)phenyl chloroformate
• 英文别名: 4-phenoxyphenyl chloroformate；(4-phenoxyphenyl) carbonochloridate
• CAS: 214690-17-2
• 化学式: C₁₃H₉ClO₃
• 分子量: 248.666
• InChiKey: PCDPTWCVIJHTCD-UHFFFAOYSA-N

物化性质

• 沸点：
  324.7±25.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(phenoxy)phenyl chloroformate 、 1-Benzyl-4-[6-(hexylcarbamoyloxy)hexylcarbamoyloxy] piperidine 以 甲苯 为溶剂， 以3.0 g (88%)的产率得到4-[6-(Hexylcarbamoyloxy)-hexylcarbamoyloxy]-piperidine-1-carboxylic acid 4-phenoxyphenyl ester
  参考文献：
  名称：

  Process for the synthesis of 4-\x9b6- (hexylcarbamoyloxy)

  摘要：

  本发明涉及一种新的和改进的工艺，用于大规模生产4-\x9b6-(己基氨基甲酰氧)己基氨基甲酰氧!-哌啶-1-羧酸4-苯氧基苯酯，该化合物抑制胆固醇酯水解酶（CEH）和酰基辅酶A胆固醇酰转移酶（ACAT），并在1995年1月25日发表的欧洲专利申请0 635 501 A1中披露。在发明工艺中，1-苄基-4-羟基哌啶或1-甲基-4-羟基哌啶与羰基化试剂（如羰基二咪唑（CDI））和6-氨基己醇反应，形成中间体1-苄基（或甲基）-4-(6-羟基己基氨基甲酰氧)哌啶。将该中间体与CDI和己胺反应，得到相应的1-苄基（或甲基）-4-\x9b6-(己基氨基甲酰氧)-己基氨基甲酰氧!哌啶。N-苄基或甲基团同时被去除，并用4-苯氧基苯甲酰氯酸酯替换为4-苯氧基苯氧羰基团。该工艺可以在不分离中间体、不改变溶剂的情况下从起始物质到最终产品进行，且最终产品的产率和纯度仍然是令人满意的。这种对现有工艺的改进明显比EP 0 635 501 A1中呈现的合成路线更少劳动和时间密集。

  公开号：

  US05952506A1
• 作为产物：
  描述：

  光气 、 4-苯氧基苯酚 在 N,N-二乙基苯胺 作用下， 以 甲苯 为溶剂， 生成 4-(phenoxy)phenyl chloroformate
  参考文献：
  名称：

  Process for the synthesis of 4-\x9b6- (hexylcarbamoyloxy)

  摘要：

  本发明涉及一种新的和改进的工艺，用于大规模生产4-\x9b6-(己基氨基甲酰氧)己基氨基甲酰氧!-哌啶-1-羧酸4-苯氧基苯酯，该化合物抑制胆固醇酯水解酶（CEH）和酰基辅酶A胆固醇酰转移酶（ACAT），并在1995年1月25日发表的欧洲专利申请0 635 501 A1中披露。在发明工艺中，1-苄基-4-羟基哌啶或1-甲基-4-羟基哌啶与羰基化试剂（如羰基二咪唑（CDI））和6-氨基己醇反应，形成中间体1-苄基（或甲基）-4-(6-羟基己基氨基甲酰氧)哌啶。将该中间体与CDI和己胺反应，得到相应的1-苄基（或甲基）-4-\x9b6-(己基氨基甲酰氧)-己基氨基甲酰氧!哌啶。N-苄基或甲基团同时被去除，并用4-苯氧基苯甲酰氯酸酯替换为4-苯氧基苯氧羰基团。该工艺可以在不分离中间体、不改变溶剂的情况下从起始物质到最终产品进行，且最终产品的产率和纯度仍然是令人满意的。这种对现有工艺的改进明显比EP 0 635 501 A1中呈现的合成路线更少劳动和时间密集。

  公开号：

  US05952506A1

文献信息

• 2-Oxy-benzoxazinone derivatives for the treatment of obesity
  申请人：——

  公开号：US20030027821A1

  公开（公告）日：2003-02-06

  The use of a compound comprising formula (I): 1 (I) or a salt, ester, amide or prodrug therof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R 1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  公式（I）中包含的化合物的使用：1（I）或其盐、酯、酰胺或前药，在抑制一种首选作用模式是催化酯功能水解的酶中的应用，例如在产品和过程中控制和抑制不需要的酶。这些化合物还在医学中有用，例如在肥胖和相关疾病的治疗中。本发明还涉及在公式（I）内的新化合物，用于制备它们的方法以及含有它们的药物组合物。在公式（I）中，A是一个6元芳香或杂芳环；R1是支链或直链烷基（可由一个或多个氧原子中断），烯烃基，炔烃基，环烷基，环烯烃基，芳基，芳基烷基，还原芳基烷基，芳基烯烃基，杂芳基，杂芳基烷基，杂芳基烯烃基，还原芳基，还原杂芳，还原杂芳烷基或上述任何一个基团的取代衍生物。
• Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates – subtype selective, high affinity α7 nicotinic acetylcholine receptor agonists
  作者：Christopher J. O’Donnell、Langu Peng、Brian T. O’Neill、Eric P. Arnold、Robert J. Mather、Steven B. Sands、Alka Shrikhande、Lorraine A. Lebel、Douglas K. Spracklin、Frank M. Nedza

  DOI：10.1016/j.bmcl.2009.06.059

  日期：2009.8

  4-diazabicyclo[3.2.2]nonane phenyl carbamate series of α7 nAChR agonists is described. The development of the medicinal chemistry strategy and SAR which led to the identification of 5 and 7aa as subtype selective, high affinity α7 agonists as excellent leads for further evaluation is discussed, along with key physicochemical and pharmacokinetic data highlighting their lead potential.

  描述了有关α7nAChR激动剂的1,4-二氮杂双环[3.2.2]壬烷苯基氨基甲酸酯系列的双环胺，氨基甲酸酯连接基和芳环的合成和SAR研究。讨论了药物化学策略和SAR的发展，从而将5和7aa鉴定为亚型选择性，高亲和力α7激动剂，作为进一步评估的极好线索，并讨论了突出其潜在潜力的重要理化和药代动力学数据。
• [EN] 2-OXY-4H-3,1-BENZOXAZIN-4-ONES FOR TREATMENT OF OBESITY<br/>[FR] 2-OXY-4H-3,1-BENZOXAZINE-4-ONES DESTINEES AU TRAITEMENT DE L'OBESITE
  申请人：ALIZYME THERAPEUTICS LTD

  公开号：WO2000040569A1

  公开（公告）日：2000-07-13

  The use of a compound comprising formula (I) or a salt, ester, amide or prodrug therof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  使用式(I)或其盐、酯、酰胺或前药，抑制一种首选作用方式为催化酯官能团水解的酶的使用，例如在产品和过程中控制和抑制不需要的酶。该化合物在医学上也有用，例如在肥胖和相关疾病的治疗中。该发明还涉及式(I)内的新化合物，制备它们的方法以及含有它们的药物组合物。在式(I)中，A是6元芳香或杂芳基环；R1是支链或直链烷基（可选地通过一个或多个氧原子中断），烯基，炔基，环烷基，环烯基，芳基，芳基烷基，还原芳基烷基，芳基烯基，杂芳基，杂芳基烷基，还原杂芳基烷基或任何上述基团的取代衍生物。
• 2-Oxy-Benzoxazinone Derivatives for the Treatment of Obesity
  申请人：Hodson Harold Francis

  公开号：US20080161301A1

  公开（公告）日：2008-07-03

  The use of a compound comprising formula (I): or a salt, ester, amide or prodrug thereof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R 1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  使用式(I)的化合物或其盐、酯、酰胺或前药在抑制一种首选模式为催化酯官能团水解的酶方面具有应用，例如在产品和过程中控制和抑制不需要的酶。该化合物也在医学上有用，例如在肥胖和相关疾病的治疗中。该发明还涉及式(I)内的新化合物，以及制备它们的过程和含有它们的药物组成物。 在式(I)中，A是6元芳香或杂芳香环；而R1是支链或非支链烷基（可选地被一个或多个氧原子打断）、烯基、炔基、环烷基、环烯基、芳基、芳基烷基、还原芳基烷基、芳基烯基、杂芳基、杂芳基烷基、杂芳基烯基、还原芳基、还原杂芳基、还原杂芳基烷基或上述任何基团的取代衍生物。
• 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY
  申请人：Hodson Harold Francis

  公开号：US20110065697A1

  公开（公告）日：2011-03-17

  The use of a compound comprising formula (I): or a salt, ester, amide or prodrug thereof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R 1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  使用公式（I）的化合物或其盐，酯，酰胺或前药在抑制其首选作用方式为催化酯官能团水解的酶中的应用，例如在产品和过程中控制和抑制不需要的酶。该化合物在医学上也很有用，例如在肥胖和相关疾病的治疗中。该发明还涉及公式（I）内的新化合物、制备它们的过程以及含有它们的制药组合物。在公式（I）中，A是6元芳香或杂芳香环；R1是支链或直链烷基（可选地由一个或多个氧原子中断），烯基，炔基，环烷基，环烯基，芳基，芳基烷基，还原芳基烷基，芳基烯基，杂芳基，杂芳基烷基，杂芳基烯基，还原芳基，还原杂芳基，还原杂芳基烷基或任何上述基团的取代衍生物。